2140-0131 Screening compound: 4-(2-chloro-5-nitrophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

2140-0131 Screening compound: 4-(2-chloro-5-nitrophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
2140-0131 Screening compound: 4-(2-chloro-5-nitrophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2140-0131
4-(2-chloro-5-nitrophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

2140-0131

Molecular Formula

C15H11ClN2O4 (C15 H11 ClN2 O4)

Compound Name

4-(2-chloro-5-nitrophenyl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-(2-chloro-5-nitrophenyl)-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

[O-][N+](c(cc1)cc(N(C(C2C3C4C=CC2C4)=O)C3=O)c1Cl)=O

InChI

InChI=1S/C15H11ClN2O4/c16-10-4-3-9(18(21)22)6-11(10)17-14(19)12-7-1-2-8(5-7)13(12)15(17)20/h1-4,6-8,12-13H,5H2

InChI Key

GLNDITBXXHRKJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.72

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.139

Distribution Coefficient, logD

2.139

Water Solubility, LogSw

-3.01

Polar Surface Area

62.805

Acid Dissociation Constant (pKa)

16.76

Base Dissociation Constant (pKb)

-9.05

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

33.30

2140-0131 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2140-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2140-0131?
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What is the minimum amount of 2140-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2140-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2140-0131
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 2140-0131 available by request